CID 5179663

36394-22-6

Structural Information

Molecular Formula

C₁₁H₈O₃

SMILES

C1C(=O)C(=C(C1=O)O)C2=CC=CC=C2

InChI

InChI=1S/C11H8O3/c12-8-6-9(13)11(14)10(8)7-4-2-1-3-5-7/h1-5,14H,6H2

InChIKey

FDFWUEDHNVOGMV-UHFFFAOYSA-N

Compound name

4-hydroxy-5-phenylcyclopent-4-ene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 188.04735 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	189.05463	135.8
[M+Na]+	211.03657	145.5
[M-H]-	187.04007	142.2
[M+NH4]+	206.08117	156.9
[M+K]+	227.01051	142.2
[M+H-H2O]+	171.04461	130.4
[M+HCOO]-	233.04555	160.2
[M+CH3COO]-	247.06120	178.5
[M+Na-2H]-	209.02202	139.7
[M]+	188.04680	135.5
[M]-	188.04790	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe